Structure Information
Structure

Compound Identification

SMILES

CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@@]2(CC)OC(=O)CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)C(O)=O)C1=O

InChIKey

InChIKey=HQQHJIAJWKUGMA-DWXGIIEHSA-N

Formula

C36H42N4O9

Mass

674.751

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Camptothecins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Camptothecins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Camptothecin - Alpha-dipeptide - Alpha peptide - Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Hydroxyquinoline - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyridinone - Benzenoid - Fatty acyl - Pyridine - Fatty amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Amino acid - Oxacycle - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).

External Descriptors

Not available

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